MMsINC Database Search


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MMsINC code: MMs02701609

Type: Neutral
Formula: C₁₆H₁₇FN₂O₄

SMILES:

Fc1ccc(cc1)C1N(CCNC(=O)C)C(=O)C(=O)C1C(=O)C

InChI:

InChI=1/C16H17FN2O4/c1-9(20)13-14(11-3-5-12(17)6-4-11)19(16(23)15(13)22)8-7-18-10(2)21/h3-6,13-14H,7-8H2,1-2H3,(H,18,21)/t13-,14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.8872 kcal/mol

Physical Properties
Molecular Weight: 320.32 g/mol	logS: -2.47531	SlogP: 0.7149	Reactive groups: 0

Topological Properties
Globularity: 0.17377	Sterimol/B1: 2.38498	Sterimol/B2: 2.68101	Sterimol/B3: 5.65245
Sterimol/B4: 9.29176	Sterimol/L: 14.3308

Surface and Volume Properties
Accessible surface: 554.213	Positive charged surface: 293.797	Negative charged surface: 260.416	Volume: 289.25
Hydrophobic surface: 393.181	Hydrophilic surface: 161.032

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02701611 PUBCHEM-ZINC00548661	MMs02701610 PUBCHEM-ZINC00548661	MMs02701613 PUBCHEM-ZINC00548661
MMs02701612 PUBCHEM-ZINC00548661